Research Digest — 2026-08-05¶
ML Interatomic Potentials¶
1. Interplay of structure and dynamics in solid polymer electrolytes: A molecular dynamics study¶
Source: Physical Chemistry Chemical Physics (D6CP00450D) · 📅 2026 · ↗ Open paper
A Coste et al. use molecular dynamics simulations to investigate the interplay between structure and dynamics in solid polymer electrolytes. The study reveals how local structural arrangements of polymer chains and Li ions govern ion transport mechanisms, providing design principles for higher-conductivity polymer electrolytes.
Relevance to DENG.Group
Directly relevant to Naibing Wu's solid polymer electrolyte simulation work. The structure-dynamics relationships identified could guide Naibing's exploration of composite polymer electrolytes. Jerry should have Naibing compare these MD findings with his own simulation results.